2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide

C8H8N4OS — CID 24710736

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide
SMILESNC(=S)Cn1nc2ccccn2c1=O
InChIInChI=1S/C8H8N4OS/c9-6(14)5-12-8(13)11-4-2-1-3-7(11)10-12/h1-4H,5H2,(H2,9,14)
InChIKeyZEYBCNRGCKVFNL-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.22
Rot. Bonds2

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide (PubChem CID 24710736) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide
PubChem CID24710736
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide
SMILESNC(=S)Cn1nc2ccccn2c1=O
InChIInChI=1S/C8H8N4OS/c9-6(14)5-12-8(13)11-4-2-1-3-7(11)10-12/h1-4H,5H2,(H2,9,14)
InChIKeyZEYBCNRGCKVFNL-UHFFFAOYSA-N
XLogP-0.22
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
3,3,3-Trifluoro-2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]propanethioamide
CID 103368875
2-[2-(Dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
CID 142034308
4-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanethioamide
CID 24705395
3-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanethioamide
CID 24708462
2-(2-Aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43183764
2-(4-Aminobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43183787
2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetamide
CID 43244750
2-[2-(2-Aminoethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43249480
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 43290784
2-Methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanethioamide
CID 43367988

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide (CID 24710736) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide is NC(=S)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide?
The InChIKey is ZEYBCNRGCKVFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-6(14)5-12-8(13)11-4-2-1-3-7(11)10-12/h1-4H,5H2,(H2,9,14).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide has a molecular weight of 208.25 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide is sourced from PubChem (CID 24710736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).